General Information of the Compound
| Compound ID |
CP0448496
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| Compound Name |
2-Methyl-11,12-dihydro-3H,6aH,13H-6-oxa-3,12a-diaza-benzo[a]cyclopenta[h]anthracene-1-carboxylic acid methyl ester
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| Structure |
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| Formula |
C21H20N2O3
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| Molecular Weight |
348.402
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| Canonical SMILES |
COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12
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| InChI |
InChI=1S/C21H20N2O3/c1-12-18(21(24)25-2)19-15-11-23-10-9-13-5-3-4-6-14(13)20(23)26-17(15)8-7-16(19)22-12/h3-8,20,22H,9-11H2,1-2H3
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| InChIKey |
QCKRJTMYXCHUDG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5